CID 51057054

N-isopropyl-4-((4-methyl-2-oxo-2h-chromen-6-yl)oxy)butanamide

Structural Information

Molecular Formula
C17H21NO4
SMILES
CC1=CC(=O)OC2=C1C=C(C=C2)OCCCC(=O)NC(C)C
InChI
InChI=1S/C17H21NO4/c1-11(2)18-16(19)5-4-8-21-13-6-7-15-14(10-13)12(3)9-17(20)22-15/h6-7,9-11H,4-5,8H2,1-3H3,(H,18,19)
InChIKey
MZOJSPCMUDXPFS-UHFFFAOYSA-N
Compound name
4-(4-methyl-2-oxochromen-6-yl)oxy-N-propan-2-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.14706 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15434 170.9
[M+Na]+ 326.13628 178.0
[M-H]- 302.13978 176.1
[M+NH4]+ 321.18088 185.6
[M+K]+ 342.11022 176.6
[M+H-H2O]+ 286.14432 163.4
[M+HCOO]- 348.14526 191.9
[M+CH3COO]- 362.16091 209.3
[M+Na-2H]- 324.12173 174.7
[M]+ 303.14651 176.5
[M]- 303.14761 176.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.